SCHEMBL17495802

SCHEMBL17495802

COC(=O)c1ncc(OC(C)c2ncco2)cc1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.37
▸ GLRA3 O75311 1/20 0.33
▸ GLRB P48167 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ CTSA P10619 9/20 0.32
▸ CFTR P13569 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ GSK3B P49841 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17496626 1.00 KMO (0.37) KMOGLRA3GLRBCYP3A4PDE10A
SCHEMBL17495804 1.00 KMO (0.37) KMOGLRA3GLRBCYP3A4PDE10A
SCHEMBL17497094 0.88 KMO (0.38) KMOCYP3A4PDE10AMKNK2CTSA
SCHEMBL17495948 0.88 KMO (0.38) KMOCYP3A4PDE10AMKNK2CTSA
SCHEMBL17495945 0.88 KMO (0.38) KMOCYP3A4PDE10AMKNK2CTSA
SCHEMBL17497059 0.79 KMO (0.33) KMOGLRA3GLRBCTSA
SCHEMBL17497061 0.79 KMO (0.33) KMOGLRA3GLRBCTSA
SCHEMBL17496191 0.76 NPC1 (0.38) GLRA3GLRBCYP3A4CFTRDRD1
SCHEMBL18698889 0.75 BACE1 (0.42) —
SCHEMBL17497039 0.74 MMP1 (0.40) CYP3A4LRRK2HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106795147-B Cyclopropyl fused thiazine-2-amine compounds as beta-secretase inhibitors and methods of use 美国安进公司 2020-09-22 — — CN disclosed
US-20170267673-A1 CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2017-09-21 — — US disclosed
EP-3177618-A1 CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE Amgen Inc. (US) 2017-06-14 — — EP disclosed
US-9550762-B2 Cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN, INC. (US) 2017-01-24 — — US disclosed
US-20160046618-A1 Cyclopropyl Fused Thiazin-2-Amine Compounds as Beta-Secretase Inhibitors and Methods of Use AMGEN INC. (US) 2016-02-18 — — US disclosed
WO-2016022724-A1 CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2016-02-11 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170267673-A1 CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP KMO 1394/4885GLRA3 839/4885GLRB 632/4885
US-20160046618-A1 Cyclopropyl Fused Thiazin-2-Amine Compounds as Beta-Secretase Inhibitors and Methods of Use BACE1, BACE2, APP KMO 1394/4885GLRA3 839/4885GLRB 632/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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